51360528 -OEChem-05132414032D 69 73 0 1 0 0 0 0 0999 V2000 3.5749 -1.4314 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.6000 -1.6539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1410 -2.3323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5743 -0.2339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6466 4.7517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4758 -1.8652 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.9758 0.3254 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3927 3.6057 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8469 2.0825 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5664 3.0424 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3768 -1.4314 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.3524 -0.4564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9758 0.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5993 -0.4564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4758 -2.8652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1586 -2.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4097 1.2264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3419 -3.3652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8464 2.0526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2079 -2.8652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3419 -4.3652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1837 2.9940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0739 -4.3652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0739 -3.3652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2079 -4.8652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9400 -4.8652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4226 4.6053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8060 -4.3652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9400 -5.8652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6720 -4.8652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5719 5.1310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6720 -5.8652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8060 -6.3652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8060 -3.3652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4972 6.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5380 -6.3652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5257 6.3652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 5.5146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3074 -2.0475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9658 0.0283 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7938 -0.7254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1138 0.9299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4172 0.5944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8653 -2.7576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2638 -3.4478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7721 -2.5396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6434 -2.4414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5452 -1.5701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9131 0.8644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8536 1.6593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2079 -2.2452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8049 -4.6752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7789 3.1679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6109 -3.0552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2079 -5.4852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0297 4.4794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6520 5.1813 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4030 -6.1752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2089 -4.5552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8060 -6.9852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4260 -3.3652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8060 -2.7452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1860 -3.3652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9701 6.5290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2280 -6.9022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0750 -6.6752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8480 -5.8283 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2906 6.9389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3817 5.4682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 6 1 0 0 0 0 1 12 1 0 0 0 0 4 14 2 0 0 0 0 5 31 1 0 0 0 0 5 38 1 0 0 0 0 6 11 1 0 0 0 0 6 15 1 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 7 17 1 0 0 0 0 8 10 1 0 0 0 0 8 22 1 0 0 0 0 8 27 1 0 0 0 0 9 10 2 0 0 0 0 9 19 1 0 0 0 0 11 14 1 0 0 0 0 11 16 1 0 0 0 0 11 39 1 0 0 0 0 12 13 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 15 18 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 16 48 1 0 0 0 0 17 19 1 0 0 0 0 17 49 1 0 0 0 0 17 50 1 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 19 22 2 0 0 0 0 20 24 1 0 0 0 0 20 51 1 0 0 0 0 21 25 2 0 0 0 0 21 52 1 0 0 0 0 22 53 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 23 26 1 0 0 0 0 24 54 1 0 0 0 0 25 55 1 0 0 0 0 26 28 2 0 0 0 0 26 29 1 0 0 0 0 27 31 1 0 0 0 0 27 56 1 0 0 0 0 27 57 1 0 0 0 0 28 30 1 0 0 0 0 28 34 1 0 0 0 0 29 33 2 0 0 0 0 29 58 1 0 0 0 0 30 32 2 0 0 0 0 30 59 1 0 0 0 0 31 35 2 0 0 0 0 32 33 1 0 0 0 0 32 36 1 0 0 0 0 33 60 1 0 0 0 0 34 61 1 0 0 0 0 34 62 1 0 0 0 0 34 63 1 0 0 0 0 35 37 1 0 0 0 0 35 64 1 0 0 0 0 36 65 1 0 0 0 0 36 66 1 0 0 0 0 36 67 1 0 0 0 0 37 38 2 0 0 0 0 37 68 1 0 0 0 0 38 69 1 0 0 0 0 M END > 51360528 > 1 > 905 > 7 > 0 > 7 > AAADceB7uABAAAAAAAAAAAAAAAAAAWJAAAAwYAAABYAAAAAB9AAAHgQIQAAADCzl3ga+hJMIBEKqA7131HDCDAQ1sgAY2AG+fMgOZjLE9TuXOSjkxhHYqYeYkcIOwAACAAAQAACAAAQAACAAAAAAAAAAAA== > 2-[[4-(2,4-dimethylphenyl)phenyl]methyl]-5-[[1-(2-furylmethyl)triazol-4-yl]methyl]-3-methyl-1,1-dioxo-1,2,5-thiadiazepan-4-one > 2-[[4-(2,4-dimethylphenyl)phenyl]methyl]-5-[[1-(2-furanylmethyl)-4-triazolyl]methyl]-3-methyl-1,1-dioxo-1,2,5-thiadiazepan-4-one > 2-[[4-(2,4-dimethylphenyl)phenyl]methyl]-5-[[1-(furan-2-ylmethyl)triazol-4-yl]methyl]-3-methyl-1,1-dioxo-1,2,5-thiadiazepan-4-one > 2-[[4-(2,4-dimethylphenyl)phenyl]methyl]-5-[[1-(furan-2-ylmethyl)triazol-4-yl]methyl]-3-methyl-1,1-dioxo-1,2,5-thiadiazepan-4-one > 2-[[4-(2,4-dimethylphenyl)phenyl]methyl]-5-[[1-(furan-2-ylmethyl)-1,2,3-triazol-4-yl]methyl]-3-methyl-1,1-bis(oxidanylidene)-1,2,5-thiadiazepan-4-one > 2-[4-(2,4-dimethylphenyl)benzyl]-5-[[1-(2-furfuryl)triazol-4-yl]methyl]-1,1-diketo-3-methyl-1,2,5-thiadiazepan-4-one > InChI=1S/C28H31N5O4S/c1-20-6-11-27(21(2)15-20)24-9-7-23(8-10-24)16-33-22(3)28(34)31(12-14-38(33,35)36)17-25-18-32(30-29-25)19-26-5-4-13-37-26/h4-11,13,15,18,22H,12,14,16-17,19H2,1-3H3 > ZQGGMTZKFDJWRP-UHFFFAOYSA-N > 3.1 > 533.20967566 > C28H31N5O4S > 533.6 > CC1C(=O)N(CCS(=O)(=O)N1CC2=CC=C(C=C2)C3=C(C=C(C=C3)C)C)CC4=CN(N=N4)CC5=CC=CO5 > CC1C(=O)N(CCS(=O)(=O)N1CC2=CC=C(C=C2)C3=C(C=C(C=C3)C)C)CC4=CN(N=N4)CC5=CC=CO5 > 110 > 533.20967566 > 0 > 38 > 0 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 11 16 3 18 20 8 18 21 8 19 22 8 20 24 8 21 25 8 23 24 8 23 25 8 26 28 8 26 29 8 28 30 8 29 33 8 30 32 8 31 35 8 32 33 8 35 37 8 37 38 8 5 31 8 5 38 8 8 10 8 8 22 8 9 10 8 9 19 8 $$$$